(4-bromo-2,5-bis(heptyloxy)phenyl)boronic acid | 1334177-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-bromo-2,5-bis(heptyloxy)phenyl)boronic acid
• 英文别名: (4-Bromo-2,5-diheptoxyphenyl)boronic acid
• CAS: 1334177-76-2
• 化学式: C₂₀H₃₄BBrO₄
• 分子量: 429.203
• InChiKey: FFMXLHJBGOXQHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-bromo-2,5-bis(heptyloxy)phenyl)boronic acid 在 sodium hydroxide 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 24.0h， 以90%的产率得到sodium (4-bromo-2,5-bis(heptyloxy)phenyl)trihydroxyborate
  参考文献：
  名称：

  Aryl Trihydroxyborate Salts: Thermally Unstable Species with Unusual Gelation Abilities

  摘要：

  A series of aryl trihydroxyborate salts were synthesized and found to form gels in benzene. The compounds were thermally unstable and readily underwent protodeboronation in solution and the solid state. Gelation could be induced without decomposition via sonication. Subsequent characterization studies revealed an unusual dependence of gel properties on alkyl chain length.

  DOI：

  10.1021/jo201353j
• 作为产物：
  描述：

  1,4-二溴-2,5-二(庚氧基)苯 在 正丁基锂 、 硼酸三异丙酯 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.66h， 以34%的产率得到(4-bromo-2,5-bis(heptyloxy)phenyl)boronic acid
  参考文献：
  名称：

  Aryl Trihydroxyborate Salts: Thermally Unstable Species with Unusual Gelation Abilities

  摘要：

  A series of aryl trihydroxyborate salts were synthesized and found to form gels in benzene. The compounds were thermally unstable and readily underwent protodeboronation in solution and the solid state. Gelation could be induced without decomposition via sonication. Subsequent characterization studies revealed an unusual dependence of gel properties on alkyl chain length.

  DOI：

  10.1021/jo201353j

文献信息

• Aryl Trihydroxyborate Salts: Thermally Unstable Species with Unusual Gelation Abilities
  作者：Cheryl L. Moy、Raja Kaliappan、Anne J. McNeil

  DOI：10.1021/jo201353j

  日期：2011.10.21

  A series of aryl trihydroxyborate salts were synthesized and found to form gels in benzene. The compounds were thermally unstable and readily underwent protodeboronation in solution and the solid state. Gelation could be induced without decomposition via sonication. Subsequent characterization studies revealed an unusual dependence of gel properties on alkyl chain length.